1,2-dimethyl-4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]imidazole

C15H22N4O — CID 154564264

IUPAC1,2-dimethyl-4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]imidazole
SMILESCc1nc(-c2nccn2CCC2CCCOC2)cn1C
InChIInChI=1S/C15H22N4O/c1-12-17-14(10-18(12)2)15-16-6-8-19(15)7-5-13-4-3-9-20-11-13/h6,8,10,13H,3-5,7,9,11H2,1-2H3
InChIKeyLVYKDDBCPZYSIF-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.41
Rot. Bonds4

About 1,2-dimethyl-4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]imidazole

1,2-dimethyl-4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]imidazole (PubChem CID 154564264) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1,2-dimethyl-4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]imidazole.

Molecular Properties

Compound Name1,2-dimethyl-4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]imidazole
PubChem CID154564264
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1,2-dimethyl-4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]imidazole
SMILESCc1nc(-c2nccn2CCC2CCCOC2)cn1C
InChIInChI=1S/C15H22N4O/c1-12-17-14(10-18(12)2)15-16-6-8-19(15)7-5-13-4-3-9-20-11-13/h6,8,10,13H,3-5,7,9,11H2,1-2H3
InChIKeyLVYKDDBCPZYSIF-UHFFFAOYSA-N
XLogP2.41
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]imidazole?
The IUPAC name of 1,2-dimethyl-4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]imidazole (CID 154564264) is 1,2-dimethyl-4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]imidazole.
What is the SMILES notation for 1,2-dimethyl-4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]imidazole?
The canonical SMILES for 1,2-dimethyl-4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]imidazole is Cc1nc(-c2nccn2CCC2CCCOC2)cn1C.
What is the InChIKey of 1,2-dimethyl-4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]imidazole?
The InChIKey is LVYKDDBCPZYSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12-17-14(10-18(12)2)15-16-6-8-19(15)7-5-13-4-3-9-20-11-13/h6,8,10,13H,3-5,7,9,11H2,1-2H3.
What are the key properties of 1,2-dimethyl-4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]imidazole?
1,2-dimethyl-4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]imidazole has a molecular weight of 274.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]imidazole is sourced from PubChem (CID 154564264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).